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/data/set2/dhfr00008.sdf

http://github.com/rajarshi/cdkr
Unknown | 109 lines | 109 code | 0 blank | 0 comment | 0 complexity | 608c1dcd6b70d6c09aff6476de6abda2 MD5 | raw file
  11-125359
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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 96M  END
 97>  <Name>
 981-125359
 99>  <Family>
100A
101>  <PC_uM>
1023.9
103>  <TG_uM>
1040.054
105>  <RL_uM>
1060.113
107>  <set>
1080
109$$$$